REMARK Name = BDB047826 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.289 -1.445 0.075 0.00 0.00 +0.055 A ATOM 2 C LIG 1 -0.362 -0.190 0.051 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.761 -0.145 0.164 0.00 0.00 +0.033 A ATOM 4 C LIG 1 -2.524 -1.317 0.302 0.00 0.00 -0.016 A ATOM 5 C LIG 1 -1.848 -2.546 0.326 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -0.455 -2.613 0.213 0.00 0.00 +0.026 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 0.432 0.982 -0.072 0.00 0.00 -0.326 N ATOM 8 C LIG 1 0.461 1.756 1.195 0.00 0.00 +0.120 C ATOM 9 C LIG 1 1.133 3.124 0.951 0.00 0.00 +0.103 C ATOM 10 N LIG 1 0.376 3.989 0.016 0.00 0.00 -0.302 NA ATOM 11 C LIG 1 1.276 4.912 -0.671 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -0.430 3.192 -0.934 0.00 0.00 +0.103 C ATOM 13 C LIG 1 0.132 1.794 -1.278 0.00 0.00 +0.120 C ENDBRANCH 2 7 BRANCH 4 14 ATOM 14 C LIG 1 -3.989 -1.255 0.425 0.00 0.00 -0.018 A ATOM 15 C LIG 1 -4.768 -0.581 -0.532 0.00 0.00 +0.009 A ATOM 16 C LIG 1 -6.161 -0.519 -0.418 0.00 0.00 +0.015 A ATOM 17 C LIG 1 -6.804 -1.133 0.661 0.00 0.00 +0.059 A ATOM 18 C LIG 1 -6.044 -1.808 1.621 0.00 0.00 +0.015 A ATOM 19 C LIG 1 -4.651 -1.867 1.502 0.00 0.00 +0.009 A BRANCH 17 20 ATOM 20 C LIG 1 -8.277 -1.096 0.827 0.00 0.00 +0.337 C ATOM 21 O LIG 1 -8.906 -1.607 1.735 0.00 0.00 -0.245 OA BRANCH 20 22 ATOM 22 O LIG 1 -8.897 -0.418 -0.155 0.00 0.00 -0.477 OA ATOM 23 H LIG 1 -9.846 -0.478 0.083 0.00 0.00 +0.295 HD ENDBRANCH 20 22 ENDBRANCH 17 20 ENDBRANCH 4 14 BRANCH 1 25 ATOM 24 C LIG 1 2.580 -2.456 -0.065 0.00 0.00 +0.250 C ATOM 25 N LIG 1 1.692 -1.409 -0.060 0.00 0.00 -0.280 N ATOM 26 H LIG 1 2.037 -0.455 -0.152 0.00 0.00 +0.155 HD ATOM 27 O LIG 1 2.313 -3.648 0.046 0.00 0.00 -0.270 OA BRANCH 24 32 ATOM 28 C LIG 1 6.792 0.358 0.667 0.00 0.00 +0.048 C ATOM 29 C LIG 1 6.023 -0.754 0.009 0.00 0.00 +0.004 A ATOM 30 C LIG 1 4.677 -1.033 0.331 0.00 0.00 +0.059 A ATOM 31 CL LIG 1 3.902 -0.086 1.562 0.00 0.00 -0.082 Cl ATOM 32 C LIG 1 4.001 -2.087 -0.313 0.00 0.00 +0.056 A ATOM 33 C LIG 1 4.682 -2.880 -1.252 0.00 0.00 +0.017 A ATOM 34 C LIG 1 6.010 -2.612 -1.568 0.00 0.00 +0.039 A ATOM 35 C LIG 1 6.663 -1.558 -0.942 0.00 0.00 +0.128 A ATOM 36 F LIG 1 7.942 -1.321 -1.267 0.00 0.00 -0.205 F ENDBRANCH 24 32 ENDBRANCH 1 25 TORSDOF 6